#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zfs n SER 2 N 0.00 0.00 -0.09 1.61 2.88 -1.26 -4.81 113.62 111.96 1zfs n SER 2 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 1zfs n SER 2 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1zfs n SER 2 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1zfs n GLU 3 N -0.56 0.50 -0.37 -1.46 -0.58 -1.26 -4.02 120.64 112.89 1zfs n GLU 3 Ca 0.00 0.20 -0.02 0.00 -0.42 0.00 0.00 57.16 56.92 1zfs n GLU 3 Cb 0.00 -1.36 0.10 0.00 -0.57 0.00 0.00 31.44 29.61 1zfs n GLU 3 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1zfs h LEU 4 N -0.92 1.12 -0.70 -4.62 6.46 -2.00 -0.94 115.31 113.72 1zfs h LEU 4 Ca -0.13 -0.03 -0.08 0.00 -0.12 0.00 0.00 57.88 57.52 1zfs h LEU 4 Cb 1.05 -0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 40.67 1zfs h LEU 4 CO -0.08 0.82 0.14 -0.08 -0.62 0.00 0.00 178.44 178.62 1zfs h GLU 5 N 1.33 1.14 0.00 1.25 4.81 -1.91 -0.04 114.58 121.16 1zfs h GLU 5 Ca 0.36 -0.29 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 1zfs h GLU 5 Cb -0.15 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.09 1zfs h GLU 5 CO -0.08 1.02 -0.03 1.15 -0.73 0.00 0.00 179.01 180.35 1zfs h THR 6 N 1.07 0.19 -0.21 0.32 2.02 -1.45 -1.75 112.91 113.11 1zfs h THR 6 Ca 0.21 -0.21 -0.13 0.00 0.77 0.00 0.00 66.41 67.05 1zfs h THR 6 Cb 0.41 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 1zfs h THR 6 CO 0.01 0.03 -0.42 0.00 0.37 0.00 0.00 175.52 175.50 1zfs h ALA 7 N 1.97 0.87 0.11 6.16 0.00 0.30 -1.75 119.26 126.93 1zfs h ALA 7 Ca -0.00 -0.45 -0.28 0.00 0.00 0.00 0.00 54.91 54.18 1zfs h ALA 7 Cb 0.17 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1zfs h ALA 7 CO 0.00 0.64 -1.32 0.52 0.00 0.00 0.00 179.25 179.09 1zfs h MET 8 N 0.42 0.24 0.00 0.00 2.07 -1.27 -3.12 114.93 113.26 1zfs h MET 8 Ca 0.03 -0.41 -0.09 0.00 -2.07 0.00 0.00 59.70 57.17 1zfs h MET 8 Cb 0.92 0.15 -0.01 0.00 -1.87 0.00 0.00 31.60 30.79 1zfs h MET 8 CO 0.08 1.15 -0.41 1.05 1.07 0.00 0.00 176.91 179.85 1zfs h GLU 9 N 0.07 0.00 0.42 1.72 4.11 -1.47 -2.46 114.58 116.96 1zfs h GLU 9 Ca -0.16 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.25 1zfs h GLU 9 Cb 1.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.23 1zfs h GLU 9 CO 0.18 0.41 -0.20 1.79 0.07 0.00 0.00 179.01 181.26 1zfs h THR 10 N 0.00 0.28 0.00 -1.06 1.35 -1.34 -2.37 112.91 109.77 1zfs h THR 10 Ca -0.00 -0.62 -0.08 0.00 -0.55 0.00 0.00 66.41 65.16 1zfs h THR 10 Cb 0.82 0.43 -0.01 0.00 -1.73 0.00 0.00 68.15 67.66 1zfs h THR 10 CO 0.05 0.06 -0.40 0.17 -0.25 0.00 0.00 175.52 175.16 1zfs h LEU 11 N -1.05 0.00 -0.40 3.87 8.10 -1.59 -2.56 115.31 121.69 1zfs h LEU 11 Ca -0.06 0.00 -0.17 0.00 0.11 0.00 0.00 57.88 57.76 1zfs h LEU 11 Cb 0.53 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.75 1zfs h LEU 11 CO 0.09 0.40 -0.52 0.40 -4.11 0.00 0.00 178.44 174.70 1zfs h ILE 12 N 0.00 1.29 -0.33 0.15 2.04 -1.51 -0.85 117.51 118.30 1zfs h ILE 12 Ca -0.00 -1.72 -0.18 0.00 1.00 0.00 0.00 64.86 63.96 1zfs h ILE 12 Cb 0.87 1.63 -0.00 0.00 -0.74 0.00 0.00 36.82 38.58 1zfs h ILE 12 CO 0.05 0.55 -0.48 -1.13 0.00 0.00 0.00 178.15 177.14 1zfs h ASN 13 N 0.61 1.00 0.69 1.72 -0.73 -1.30 -2.22 115.58 115.34 1zfs h ASN 13 Ca 0.02 -0.51 -0.12 0.00 1.87 0.00 0.00 56.30 57.56 1zfs h ASN 13 Cb 1.10 -0.28 -0.02 0.00 0.27 0.00 0.00 38.32 39.39 1zfs h ASN 13 CO 0.11 1.31 -0.59 0.58 -0.37 0.00 0.00 177.43 178.47 1zfs h VAL 14 N 0.72 1.35 -0.73 2.57 2.07 -1.47 0.72 116.25 121.46 1zfs h VAL 14 Ca 0.03 -2.07 -0.06 0.00 0.82 0.00 0.00 66.70 65.42 1zfs h VAL 14 Cb 1.09 2.14 -0.03 0.00 -1.52 0.00 0.00 31.29 32.97 1zfs h VAL 14 CO 0.11 0.58 0.20 0.15 0.02 0.00 0.00 177.57 178.63 1zfs h PHE 15 N 0.00 1.21 -0.00 1.57 3.57 -0.94 -1.31 116.94 121.03 1zfs h PHE 15 Ca -0.01 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 61.36 1zfs h PHE 15 Cb 1.09 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.49 1zfs h PHE 15 CO 0.00 0.96 -0.26 0.72 -2.23 0.00 0.00 178.31 177.50 1zfs n HIS 16 N -4.24 0.00 0.09 0.41 8.25 -0.85 -2.04 115.22 116.83 1zfs n HIS 16 Ca 0.06 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.35 1zfs n HIS 16 Cb 0.25 -0.20 -0.14 0.00 1.12 0.00 0.00 29.99 31.01 1zfs n HIS 16 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1zfs h ALA 17 N 3.42 0.16 0.00 -1.41 0.00 0.30 -3.37 119.26 118.36 1zfs h ALA 17 Ca 0.00 -0.99 -0.20 0.00 0.00 0.00 0.00 54.91 53.72 1zfs h ALA 17 Cb 0.46 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 1zfs h ALA 17 CO 0.00 1.04 -1.75 0.72 0.00 0.00 0.00 179.25 179.26 1zfs n HIS 18 N -3.50 0.00 0.25 0.00 8.25 -0.98 -3.92 115.22 115.32 1zfs n HIS 18 Ca -0.13 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.49 1zfs n HIS 18 Cb 1.04 -0.54 0.84 0.00 1.12 0.00 0.00 29.99 32.45 1zfs n HIS 18 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1zfs h SER 19 N 0.00 0.00 0.00 0.41 4.64 -1.62 -2.83 113.55 114.16 1zfs h SER 19 Ca -0.30 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.00 1zfs h SER 19 Cb 1.67 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.71 1zfs h SER 19 CO 0.01 0.00 -0.49 0.61 -0.87 0.00 0.00 176.83 176.10 1zfs n GLY 20 N -1.09 1.32 0.17 -0.77 0.00 -1.26 -4.10 105.19 99.47 1zfs n GLY 20 Ca -0.02 -0.30 0.03 0.00 0.00 0.00 0.00 46.02 45.73 1zfs n GLY 20 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1zfs h LYS 21 N 0.14 0.00 0.00 1.61 3.64 -1.62 -3.28 116.57 117.07 1zfs h LYS 21 Ca -0.03 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.25 1zfs h LYS 21 Cb 1.39 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.19 1zfs h LYS 21 CO 0.01 0.46 -1.70 0.39 -2.27 0.00 0.00 179.45 176.34 1zfs n GLU 22 N -3.61 1.21 0.00 1.90 1.02 -1.26 -5.11 120.64 114.79 1zfs n GLU 22 Ca -0.00 -0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 1zfs n GLU 22 Cb 0.55 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.67 1zfs n GLU 22 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1zfs n GLY 23 N 2.02 0.68 3.74 0.62 0.00 -1.24 -5.01 105.19 105.99 1zfs n GLY 23 Ca -0.11 -2.13 -0.29 0.00 0.00 0.00 0.00 46.02 43.50 1zfs n GLY 23 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1zfs n ASP 24 N 0.31 -3.96 -0.07 1.61 8.00 -1.26 -4.59 116.55 116.58 1zfs n ASP 24 Ca 0.00 -0.66 0.07 0.00 0.71 0.00 0.00 54.79 54.91 1zfs n ASP 24 Cb 0.00 -3.23 0.37 0.00 -0.02 0.00 0.00 41.12 38.24 1zfs n ASP 24 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1zfs n LYS 25 N -4.16 1.09 0.23 -1.24 2.85 -1.26 -3.32 118.16 112.36 1zfs n LYS 25 Ca 0.03 -0.14 0.16 0.00 -1.05 0.00 0.00 58.31 57.30 1zfs n LYS 25 Cb 0.52 -1.22 0.60 0.00 -0.65 0.00 0.00 35.03 34.28 1zfs n LYS 25 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 177.40 176.43 1zfs h TYR 26 N 0.26 0.00 -3.11 5.58 5.03 -1.88 -3.45 116.97 119.41 1zfs h TYR 26 Ca 0.00 0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.28 1zfs h TYR 26 Cb 0.06 0.00 -0.12 0.00 1.55 0.00 0.00 36.73 38.22 1zfs h TYR 26 CO 0.02 0.00 0.14 0.21 -1.32 0.00 0.00 178.16 177.20 1zfs s LYS 27 N -3.53 1.24 0.74 1.82 2.20 -1.21 -5.12 119.74 115.88 1zfs s LYS 27 Ca 0.03 -0.55 -0.10 0.00 -0.36 0.00 0.00 55.97 54.99 1zfs s LYS 27 Cb 0.09 0.56 0.06 0.00 -1.51 0.00 0.00 37.83 37.03 1zfs s LYS 27 CO 0.51 -0.53 1.09 -1.17 -0.36 0.00 0.00 175.35 174.90 1zfs s LEU 28 N -2.77 2.72 0.18 5.43 2.96 -0.74 -4.95 118.68 121.50 1zfs s LEU 28 Ca 0.02 0.73 0.00 0.00 -0.22 0.00 0.00 54.13 54.66 1zfs s LEU 28 Cb -0.00 -3.35 -0.04 0.00 0.50 0.00 0.00 46.19 43.29 1zfs s LEU 28 CO -0.12 -1.65 0.06 -0.44 -1.32 0.00 0.00 176.35 172.87 1zfs s SER 29 N -4.50 0.71 0.25 3.68 0.01 -1.26 -2.56 113.70 110.03 1zfs s SER 29 Ca 0.60 -1.26 -0.06 0.00 1.31 0.00 0.00 55.95 56.55 1zfs s SER 29 Cb -0.11 0.23 0.27 0.00 0.21 0.00 0.00 66.02 66.62 1zfs s SER 29 CO 0.48 -0.70 1.93 0.50 0.41 0.00 0.00 173.24 175.86 1zfs h LYS 30 N 2.69 1.32 0.00 12.44 3.64 -1.93 -2.66 116.57 132.08 1zfs h LYS 30 Ca -0.36 -0.08 -0.16 0.00 -1.27 0.00 0.00 60.65 58.78 1zfs h LYS 30 Cb 1.22 -0.30 -0.02 0.00 -0.41 0.00 0.00 32.23 32.72 1zfs h LYS 30 CO 0.60 0.88 -0.75 1.57 -2.27 0.00 0.00 179.45 179.47 1zfs h LYS 31 N 1.36 0.00 0.08 1.90 5.09 -1.97 -2.99 116.57 120.04 1zfs h LYS 31 Ca 0.37 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 61.10 1zfs h LYS 31 Cb -0.15 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.18 1zfs h LYS 31 CO -0.08 0.75 -0.04 0.93 -2.09 0.00 0.00 179.45 178.92 1zfs h GLU 32 N 0.00 -0.10 -0.23 0.07 5.08 -1.85 -2.97 114.58 114.58 1zfs h GLU 32 Ca -0.01 0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 1zfs h GLU 32 Cb 1.32 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 1zfs h GLU 32 CO 0.10 0.14 -0.37 1.37 -1.00 0.00 0.00 179.01 179.25 1zfs h LEU 33 N -0.34 0.54 -0.96 1.33 8.10 -1.60 -3.05 115.31 119.33 1zfs h LEU 33 Ca -0.01 -0.22 -0.00 0.00 0.11 0.00 0.00 57.88 57.75 1zfs h LEU 33 Cb 0.29 -0.15 -0.05 0.00 -0.44 0.00 0.00 40.66 40.32 1zfs h LEU 33 CO 0.02 0.86 0.59 0.50 -4.11 0.00 0.00 178.44 176.30 1zfs h LYS 34 N 0.43 1.29 -0.81 0.17 3.64 -1.52 -2.18 116.57 117.59 1zfs h LYS 34 Ca 0.04 -0.11 -0.04 0.00 -1.27 0.00 0.00 60.65 59.27 1zfs h LYS 34 Cb 0.85 -0.28 -0.04 0.00 -0.41 0.00 0.00 32.23 32.35 1zfs h LYS 34 CO 0.07 0.89 0.33 0.22 -2.27 0.00 0.00 179.45 178.69 1zfs h ASP 35 N 1.32 1.11 -0.98 4.20 1.82 -1.41 -2.42 116.42 120.06 1zfs h ASP 35 Ca 0.35 -0.17 0.01 0.00 -0.39 0.00 0.00 57.03 56.83 1zfs h ASP 35 Cb -0.08 -0.29 -0.05 0.00 0.68 0.00 0.00 39.33 39.59 1zfs h ASP 35 CO -0.07 0.98 0.65 -0.07 -1.61 0.00 0.00 179.24 179.12 1zfs h LEU 36 N 1.17 1.12 -0.11 2.28 3.38 -1.36 -0.85 115.31 120.95 1zfs h LEU 36 Ca 0.27 -0.03 -0.24 0.00 0.09 0.00 0.00 57.88 57.97 1zfs h LEU 36 Cb 0.21 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 40.69 1zfs h LEU 36 CO -0.02 0.81 -0.86 -0.07 0.09 0.00 0.00 178.44 178.38 1zfs h LEU 37 N 1.32 0.94 -0.90 1.67 3.38 -1.28 -3.13 115.31 117.32 1zfs h LEU 37 Ca 0.36 -0.66 -0.04 0.00 0.09 0.00 0.00 57.88 57.62 1zfs h LEU 37 Cb -0.14 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.29 1zfs h LEU 37 CO -0.08 1.46 0.28 1.56 0.09 0.00 0.00 178.44 181.75 1zfs h GLN 38 N 0.50 1.08 -0.00 1.13 4.20 -1.10 0.45 115.11 121.37 1zfs h GLN 38 Ca -0.08 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.43 1zfs h GLN 38 Cb 1.50 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 29.11 1zfs h GLN 38 CO 0.18 0.89 -0.02 0.00 -0.67 0.00 0.00 178.83 179.20 1zfs h THR 39 N 1.06 1.59 0.00 -0.54 1.03 -1.20 -3.35 112.91 111.50 1zfs h THR 39 Ca 0.24 -1.77 -0.17 0.00 -0.01 0.00 0.00 66.41 64.70 1zfs h THR 39 Cb 0.22 2.79 -0.03 0.00 -1.07 0.00 0.00 68.15 70.06 1zfs h THR 39 CO -0.02 0.46 -1.71 -0.62 -0.01 0.00 0.00 175.52 173.63 1zfs n GLU 40 N -4.71 1.96 -0.68 0.00 1.02 -1.18 -4.67 120.64 112.38 1zfs n GLU 40 Ca -0.09 -0.02 -0.00 0.00 -0.02 0.00 0.00 57.16 57.03 1zfs n GLU 40 Cb 0.38 -1.28 0.22 0.00 -0.02 0.00 0.00 31.44 30.75 1zfs n GLU 40 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1zfs n LEU 41 N -2.33 4.20 -0.07 -4.62 4.32 -0.05 -4.74 117.00 113.72 1zfs n LEU 41 Ca -0.15 -3.45 -0.09 0.00 -0.02 0.00 0.00 56.01 52.30 1zfs n LEU 41 Cb 0.77 -0.61 -0.02 0.00 -1.62 0.00 0.00 43.42 41.94 1zfs n LEU 41 CO 0.23 1.00 0.98 0.77 -1.22 0.00 0.00 177.39 179.15 1zfs h SER 42 N 1.34 0.31 -0.82 -1.43 4.64 -0.34 -0.98 113.55 116.26 1zfs h SER 42 Ca 0.16 -0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.42 1zfs h SER 42 Cb 1.65 -0.08 -0.04 0.00 -0.31 0.00 0.00 62.40 63.63 1zfs h SER 42 CO 0.37 0.23 0.36 0.28 -0.87 0.00 0.00 176.83 177.20 1zfs h SER 43 N 0.36 1.11 0.00 4.97 0.02 -1.86 -3.31 113.55 114.83 1zfs h SER 43 Ca 0.10 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1zfs h SER 43 Cb -0.03 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 62.22 1zfs h SER 43 CO -0.02 0.96 -0.00 -0.26 -1.14 0.00 0.00 176.83 176.37 1zfs h PHE 44 N 1.19 -0.00 -2.10 3.45 0.04 -1.87 -3.41 116.94 114.24 1zfs h PHE 44 Ca 0.28 -0.00 -0.59 0.00 2.80 0.00 0.00 57.97 60.46 1zfs h PHE 44 Cb 0.17 0.00 -0.11 0.00 2.20 0.00 0.00 35.95 38.21 1zfs h PHE 44 CO 0.02 -0.00 1.04 -0.51 -0.60 0.00 0.00 178.31 178.25 1zfs s LEU 45 N -4.01 3.73 -0.55 1.54 1.02 -0.39 -4.92 118.68 115.10 1zfs s LEU 45 Ca -0.00 -1.01 -0.26 0.00 0.02 0.00 0.00 54.13 52.88 1zfs s LEU 45 Cb 0.00 -2.51 -0.08 0.00 0.02 0.00 0.00 46.19 43.61 1zfs s LEU 45 CO 0.00 -1.58 2.42 -0.67 0.02 0.00 0.00 176.35 176.54 1zfs n ASP 46 N 8.57 2.22 -0.00 2.29 -0.08 -1.25 -4.45 116.55 123.85 1zfs n ASP 46 Ca 0.12 -0.72 0.03 0.00 -1.51 0.00 0.00 54.79 52.71 1zfs n ASP 46 Cb 0.49 -1.60 -0.04 0.00 2.34 0.00 0.00 41.12 42.30 1zfs n ASP 46 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 1zfs n VAL 47 N 8.17 0.00 0.00 5.18 3.14 -1.26 -4.62 118.33 128.94 1zfs n VAL 47 Ca 0.39 -0.17 0.00 0.00 -2.96 0.00 0.00 64.34 61.60 1zfs n VAL 47 Cb 0.53 0.49 0.00 0.00 -1.06 0.00 0.00 33.84 33.79 1zfs n VAL 47 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1zfs n GLN 48 N -1.59 0.00 -0.11 1.45 6.02 -1.26 -4.01 117.38 117.88 1zfs n GLN 48 Ca -0.01 0.50 -0.06 0.00 -0.01 0.00 0.00 57.00 57.42 1zfs n GLN 48 Cb 0.13 -1.00 0.02 0.00 1.02 0.00 0.00 30.24 30.40 1zfs n GLN 48 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.06 177.62 1zfs h LYS 49 N 0.00 0.33 -3.84 -1.09 -0.00 -1.96 -3.17 116.57 106.84 1zfs h LYS 49 Ca 0.00 -0.02 -0.77 0.00 -0.00 0.00 0.00 60.65 59.86 1zfs h LYS 49 Cb 0.00 -0.08 -0.22 0.00 -0.00 0.00 0.00 32.23 31.93 1zfs h LYS 49 CO 0.00 0.22 1.09 -0.25 -0.00 0.00 0.00 179.45 180.51 1zfs n ASP 50 N -4.96 5.51 0.25 7.07 8.00 -1.26 -4.75 116.55 126.39 1zfs n ASP 50 Ca 0.01 -3.10 0.18 0.00 0.71 0.00 0.00 54.79 52.60 1zfs n ASP 50 Cb 0.11 -1.44 0.89 0.00 -0.02 0.00 0.00 41.12 40.66 1zfs n ASP 50 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1zfs h ALA 51 N 6.44 1.59 -0.34 2.24 0.00 -1.68 1.22 119.26 128.73 1zfs h ALA 51 Ca 0.27 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 1zfs h ALA 51 Cb 0.79 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1zfs h ALA 51 CO 1.25 -0.27 -0.13 -0.44 0.00 0.00 0.00 179.25 179.67 1zfs h ASP 52 N 0.00 0.58 -0.35 0.00 3.32 -1.89 -1.12 116.42 116.96 1zfs h ASP 52 Ca 0.06 -0.16 0.10 0.00 0.02 0.00 0.00 57.03 57.05 1zfs h ASP 52 Cb 0.46 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1zfs h ASP 52 CO -0.00 0.74 0.31 0.00 -1.72 0.00 0.00 179.24 178.57 1zfs h ALA 53 N 1.32 2.13 0.00 3.45 0.00 0.12 0.17 119.26 126.45 1zfs h ALA 53 Ca 0.10 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.83 1zfs h ALA 53 Cb 0.54 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1zfs h ALA 53 CO 0.03 -0.49 -0.79 -0.24 0.00 0.00 0.00 179.25 177.77 1zfs h VAL 54 N 0.00 1.37 -0.33 0.00 3.04 -1.19 -2.40 116.25 116.75 1zfs h VAL 54 Ca 0.17 -2.89 -0.18 0.00 -1.01 0.00 0.00 66.70 62.79 1zfs h VAL 54 Cb 0.79 2.64 -0.00 0.00 -2.01 0.00 0.00 31.29 32.71 1zfs h VAL 54 CO -0.00 0.77 -0.48 -0.78 -1.01 0.00 0.00 177.57 176.07 1zfs h ASP 55 N 0.00 1.00 -0.49 3.17 1.82 -0.62 -2.05 116.42 119.25 1zfs h ASP 55 Ca -0.01 -0.50 -0.12 0.00 -0.39 0.00 0.00 57.03 56.00 1zfs h ASP 55 Cb 1.58 -0.28 -0.01 0.00 0.68 0.00 0.00 39.33 41.29 1zfs h ASP 55 CO 0.10 1.31 -0.18 0.11 -1.61 0.00 0.00 179.24 178.97 1zfs h LYS 56 N 0.72 0.99 -0.67 0.28 6.56 -1.49 -1.43 116.57 121.53 1zfs h LYS 56 Ca 0.03 -0.40 -0.07 0.00 -1.06 0.00 0.00 60.65 59.15 1zfs h LYS 56 Cb 1.09 -0.04 -0.03 0.00 -0.57 0.00 0.00 32.23 32.68 1zfs h LYS 56 CO 0.11 1.08 0.14 0.97 -2.06 0.00 0.00 179.45 179.69 1zfs h ILE 57 N 0.84 1.26 0.00 1.86 2.10 -1.37 -2.48 117.51 119.73 1zfs h ILE 57 Ca 0.12 -0.98 -0.12 0.00 1.08 0.00 0.00 64.86 64.96 1zfs h ILE 57 Cb 0.75 0.59 -0.02 0.00 -1.09 0.00 0.00 36.82 37.06 1zfs h ILE 57 CO 0.06 0.37 -0.58 0.24 -1.08 0.00 0.00 178.15 177.16 1zfs h MET 58 N 1.02 0.00 -1.00 2.19 2.86 -1.23 -3.09 114.93 115.67 1zfs h MET 58 Ca 0.21 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.86 1zfs h MET 58 Cb 0.39 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.00 1zfs h MET 58 CO 0.01 0.58 0.66 -0.22 1.06 0.00 0.00 176.91 179.00 1zfs h LYS 59 N 0.00 1.32 -0.64 1.72 3.64 -0.78 1.14 116.57 122.97 1zfs h LYS 59 Ca -0.01 -0.08 -0.07 0.00 -1.27 0.00 0.00 60.65 59.23 1zfs h LYS 59 Cb 1.11 -0.30 -0.03 0.00 -0.41 0.00 0.00 32.23 32.61 1zfs h LYS 59 CO 0.08 0.87 0.13 1.49 -2.27 0.00 0.00 179.45 179.75 1zfs h GLU 60 N 1.36 1.03 0.02 1.90 4.57 -1.45 -0.30 114.58 121.71 1zfs h GLU 60 Ca 0.37 -0.25 -0.00 0.00 -1.18 0.00 0.00 59.36 58.29 1zfs h GLU 60 Cb -0.16 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.30 1zfs h GLU 60 CO -0.08 0.93 -0.01 -0.07 -1.18 0.00 0.00 179.01 178.60 1zfs h LEU 61 N 0.98 -0.03 -3.10 1.64 4.07 -1.01 -3.32 115.31 114.53 1zfs h LEU 61 Ca 0.20 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 58.12 1zfs h LEU 61 Cb 0.39 0.01 -0.02 0.00 1.08 0.00 0.00 40.66 42.12 1zfs h LEU 61 CO 0.01 0.09 0.02 0.47 -1.08 0.00 0.00 178.44 177.94 1zfs n ASP 62 N -2.67 5.45 0.32 -0.43 8.00 0.38 -4.36 116.55 123.24 1zfs n ASP 62 Ca -0.00 -2.48 0.13 0.00 0.71 0.00 0.00 54.79 53.15 1zfs n ASP 62 Cb 0.01 -1.14 0.69 0.00 -0.02 0.00 0.00 41.12 40.67 1zfs n ASP 62 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1zfs h GLU 63 N 1.16 0.00 -0.01 -1.24 4.81 -1.15 2.65 114.58 120.81 1zfs h GLU 63 Ca 0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1zfs h GLU 63 Cb 1.02 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.40 1zfs h GLU 63 CO 0.08 0.00 -0.08 0.09 -0.73 0.00 0.00 179.01 178.38 1zfs n ASN 64 N -2.78 0.63 -1.23 1.04 5.03 -1.26 -4.90 115.26 111.78 1zfs n ASN 64 Ca -0.02 -0.85 -0.10 0.00 0.87 0.00 0.00 54.58 54.48 1zfs n ASN 64 Cb 0.45 -0.03 0.00 0.00 -1.02 0.00 0.00 39.78 39.18 1zfs n ASN 64 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1zfs n GLY 65 N 1.21 0.05 0.17 7.41 0.00 0.89 -4.91 105.19 110.02 1zfs n GLY 65 Ca 0.17 -0.45 0.12 0.00 0.00 0.00 0.00 46.02 45.86 1zfs n GLY 65 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1zfs h ASP 66 N -0.25 0.00 0.00 1.61 3.32 -1.91 -3.46 116.42 115.73 1zfs h ASP 66 Ca -0.23 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.82 1zfs h ASP 66 Cb 1.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.71 1zfs h ASP 66 CO 0.26 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.39 1zfs n GLY 67 N 1.18 0.45 3.17 2.75 0.00 -1.26 -4.88 105.19 106.61 1zfs n GLY 67 Ca 0.04 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 1zfs n GLY 67 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1zfs s GLU 68 N -0.48 0.83 0.12 1.61 2.02 -1.26 -3.23 118.70 118.31 1zfs s GLU 68 Ca 0.00 -0.96 0.11 0.00 0.02 0.00 0.00 54.97 54.14 1zfs s GLU 68 Cb 0.00 -0.84 -0.04 0.00 0.10 0.00 0.00 34.13 33.35 1zfs s GLU 68 CO 0.00 0.19 -0.27 0.08 0.02 0.00 0.00 175.26 175.28 1zfs s VAL 69 N -1.27 2.25 -0.96 2.63 1.01 -1.06 -4.72 120.40 118.28 1zfs s VAL 69 Ca -0.02 -1.73 0.07 0.00 0.00 0.00 0.00 61.98 60.30 1zfs s VAL 69 Cb -0.10 -1.99 0.36 0.00 0.00 0.00 0.00 36.38 34.65 1zfs s VAL 69 CO 0.02 0.11 1.11 0.47 0.00 0.00 0.00 175.10 176.81 1zfs n ASP 70 N 0.98 2.85 0.00 3.32 8.00 -1.26 -1.80 116.55 128.64 1zfs n ASP 70 Ca -0.18 -2.33 0.00 0.00 0.71 0.00 0.00 54.79 52.99 1zfs n ASP 70 Cb 0.53 -0.51 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 1zfs n ASP 70 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1zfs n PHE 71 N 0.33 0.00 -0.14 1.24 7.35 -1.26 -4.39 117.46 120.59 1zfs n PHE 71 Ca 0.12 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.72 1zfs n PHE 71 Cb 0.59 0.00 0.05 0.00 0.35 0.00 0.00 39.48 40.47 1zfs n PHE 71 CO 0.00 0.00 0.00 1.96 -0.76 0.00 0.00 176.76 177.96 1zfs h GLN 72 N 0.00 0.92 -1.00 -4.13 4.20 -2.01 -2.51 115.11 110.58 1zfs h GLN 72 Ca 0.00 -0.35 0.01 0.00 0.06 0.00 0.00 58.65 58.36 1zfs h GLN 72 Cb 0.00 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 27.68 1zfs h GLN 72 CO 0.00 1.01 0.65 0.93 -0.67 0.00 0.00 178.83 180.75 1zfs h GLU 73 N 0.81 1.32 -0.20 1.46 5.08 -1.96 -3.03 114.58 118.06 1zfs h GLU 73 Ca 0.12 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1zfs h GLU 73 Cb 0.70 -0.29 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1zfs h GLU 73 CO 0.05 0.88 0.04 0.35 -1.00 0.00 0.00 179.01 179.34 1zfs h PHE 74 N 1.36 0.34 -1.00 4.33 3.04 -1.81 -3.02 116.94 120.17 1zfs h PHE 74 Ca 0.36 -0.04 0.01 0.00 3.98 0.00 0.00 57.97 62.28 1zfs h PHE 74 Cb -0.14 -0.10 -0.05 0.00 2.56 0.00 0.00 35.95 38.23 1zfs h PHE 74 CO 0.00 0.45 0.66 -0.24 -2.02 0.00 0.00 178.31 177.16 1zfs h VAL 75 N 0.14 1.26 -0.42 1.41 3.04 -1.35 -2.74 116.25 117.59 1zfs h VAL 75 Ca 0.06 -0.48 -0.15 0.00 -1.01 0.00 0.00 66.70 65.12 1zfs h VAL 75 Cb 0.29 -0.21 -0.01 0.00 -2.01 0.00 0.00 31.29 29.35 1zfs h VAL 75 CO 0.00 0.25 -0.33 0.58 -1.01 0.00 0.00 177.57 177.07 1zfs h VAL 76 N 1.36 1.27 0.54 1.51 2.07 -1.55 -1.74 116.25 119.71 1zfs h VAL 76 Ca 0.37 -1.50 -0.03 0.00 0.82 0.00 0.00 66.70 66.36 1zfs h VAL 76 Cb -0.15 1.29 0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1zfs h VAL 76 CO -0.08 0.51 -0.26 0.25 0.02 0.00 0.00 177.57 178.01 1zfs h LEU 77 N 0.80 -0.61 -0.89 2.57 7.12 -1.37 -3.01 115.31 119.92 1zfs h LEU 77 Ca 0.08 -0.05 -0.03 0.00 0.13 0.00 0.00 57.88 58.00 1zfs h LEU 77 Cb 0.92 0.16 -0.00 0.00 -0.53 0.00 0.00 40.66 41.20 1zfs h LEU 77 CO 0.09 -0.27 -0.17 -0.37 -0.13 0.00 0.00 178.44 177.59 1zfs h VAL 78 N -0.99 0.36 -0.11 1.05 -1.51 -1.61 -2.84 116.25 110.61 1zfs h VAL 78 Ca -0.07 -1.08 -0.02 0.00 -1.23 0.00 0.00 66.70 64.30 1zfs h VAL 78 Cb 0.63 1.82 -0.00 0.00 -2.13 0.00 0.00 31.29 31.60 1zfs h VAL 78 CO 0.12 0.16 0.01 0.00 -1.23 0.00 0.00 177.57 176.63 1zfs h ALA 79 N 1.83 0.15 -0.37 5.19 0.00 -1.32 -2.69 119.26 122.05 1zfs h ALA 79 Ca -0.00 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.58 1zfs h ALA 79 Cb 0.80 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1zfs h ALA 79 CO 0.02 -0.18 -0.41 0.00 0.00 0.00 0.00 179.25 178.68 1zfs h ALA 80 N 0.77 0.56 0.11 0.00 0.00 -1.52 -2.92 119.26 116.26 1zfs h ALA 80 Ca 0.03 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1zfs h ALA 80 Cb 0.32 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1zfs h ALA 80 CO 0.00 0.68 -0.05 1.25 0.00 0.00 0.00 179.25 181.13 1zfs h LEU 81 N 0.75 -0.13 -0.89 0.00 6.46 -1.49 -2.36 115.31 117.65 1zfs h LEU 81 Ca 0.05 -0.06 -0.04 0.00 -0.12 0.00 0.00 57.88 57.71 1zfs h LEU 81 Cb 1.01 0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.94 1zfs h LEU 81 CO 0.10 -0.03 0.30 0.00 -0.62 0.00 0.00 178.44 178.20 1zfs h THR 82 N -0.22 1.25 -0.87 1.05 1.03 -1.56 -2.62 112.91 110.97 1zfs h THR 82 Ca -0.02 -0.78 0.01 0.00 -0.01 0.00 0.00 66.41 65.61 1zfs h THR 82 Cb 0.18 0.35 -0.04 0.00 -1.07 0.00 0.00 68.15 67.57 1zfs h THR 82 CO 0.03 0.32 0.57 0.58 -0.01 0.00 0.00 175.52 177.01 1zfs h VAL 83 N 1.08 1.22 -1.00 0.00 2.07 -1.37 -2.60 116.25 115.66 1zfs h VAL 83 Ca 0.25 -0.41 0.01 0.00 0.82 0.00 0.00 66.70 67.37 1zfs h VAL 83 Cb 0.20 -0.05 -0.05 0.00 -1.52 0.00 0.00 31.29 29.87 1zfs h VAL 83 CO -0.02 0.22 0.66 0.00 0.02 0.00 0.00 177.57 178.44 1zfs h ALA 84 N 1.32 1.26 -0.68 1.67 0.00 -1.04 -2.39 119.26 119.40 1zfs h ALA 84 Ca 0.32 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 1zfs h ALA 84 Cb -0.13 -0.40 -0.03 0.00 0.00 0.00 0.00 17.79 17.23 1zfs h ALA 84 CO -0.07 0.66 0.11 0.00 0.00 0.00 0.00 179.25 179.95 1zfs h ASN 86 N 1.05 1.14 -0.22 0.00 -1.24 -1.27 -2.06 115.58 112.98 1zfs h ASN 86 Ca 0.21 -0.04 -0.11 0.00 0.71 0.00 0.00 56.30 57.06 1zfs h ASN 86 Cb 0.45 -0.29 -0.01 0.00 0.73 0.00 0.00 38.32 39.20 1zfs h ASN 86 CO 0.01 0.84 -0.22 -1.13 -1.29 0.00 0.00 177.43 175.64 1zfs h ASN 87 N 1.34 0.69 -0.97 1.15 -1.24 -1.19 -2.86 115.58 112.50 1zfs h ASN 87 Ca 0.36 -0.24 0.01 0.00 0.71 0.00 0.00 56.30 57.14 1zfs h ASN 87 Cb -0.12 -0.19 -0.05 0.00 0.73 0.00 0.00 38.32 38.69 1zfs h ASN 87 CO -0.07 0.90 0.64 0.15 -1.29 0.00 0.00 177.43 177.76 1zfs h PHE 88 N 0.60 1.22 -0.16 0.67 3.04 -0.87 -1.06 116.94 120.38 1zfs h PHE 88 Ca 0.09 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.06 1zfs h PHE 88 Cb 0.70 -0.41 0.00 0.00 2.56 0.00 0.00 35.95 38.80 1zfs h PHE 88 CO 0.03 0.76 0.00 1.19 -2.02 0.00 0.00 178.31 178.28 1zfs n PHE 89 N -4.41 0.22 0.33 0.41 3.72 -1.01 -3.87 117.46 112.84 1zfs n PHE 89 Ca 0.11 -0.11 0.14 0.00 -0.05 0.00 0.00 57.45 57.54 1zfs n PHE 89 Cb 0.02 0.00 0.59 0.00 -0.94 0.00 0.00 39.48 39.15 1zfs n PHE 89 CO 0.00 0.00 0.00 0.11 -0.05 0.00 0.00 176.76 176.82 1zfs h TRP 90 N 1.00 0.00 -0.96 1.38 5.08 -1.05 -2.82 115.95 118.58 1zfs h TRP 90 Ca 0.00 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.97 1zfs h TRP 90 Cb 0.23 0.00 -0.05 0.00 -3.00 0.00 0.00 29.16 26.34 1zfs h TRP 90 CO 0.11 0.00 0.60 0.93 -1.28 0.00 0.00 178.44 178.80 1zfs h GLU 91 N 0.00 1.29 -0.98 0.12 5.08 -1.78 -1.50 114.58 116.81 1zfs h GLU 91 Ca 0.00 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1zfs h GLU 91 Cb 0.32 -0.28 -0.05 0.00 0.50 0.00 0.00 28.75 29.24 1zfs h GLU 91 CO 0.00 0.89 0.62 -0.91 -1.00 0.00 0.00 179.01 178.61 1zfs h ASN 92 N 1.32 1.15 0.00 1.42 2.35 -1.82 -3.55 115.58 116.44 1zfs h ASN 92 Ca 0.35 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 1zfs h ASN 92 Cb -0.09 -0.29 0.00 0.00 0.05 0.00 0.00 38.32 37.99 1zfs h ASN 92 CO -0.07 0.85 0.00 -0.24 -1.65 0.00 0.00 177.43 176.33